HRID1546702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID138341

n-Heptyl isocyanate

C8H15NO

结构：CCOC(=O)C(C)=Cc1ccc(-c2cccc(NC)c2)cc1

HCID68957155

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C=C(C)C(=O)OCC)cc2)c1

HCID90990070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f8d91f8d3b34d66912ae5af767859c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[N:8]=[C:9]=[O:10].[CH3:11][C:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])=[CH:18][c:19]1[cH:20][cH:21][c:22](-[c:25]2[cH:26][c:27]([NH:31][CH3:32])[cH:28][cH:29][cH:30]2)[cH:23][cH:24]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl:41][CH2:42][Cl:43].[OH2:40]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[NH:8][C:9](=[O:10])[N:31]([c:27]1[cH:26][c:25](-[c:22]2[cH:21][cH:20][c:19]([CH:18]=[C:12]([CH3:11])[C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:24][cH:23]2)[cH:30][cH:29][cH:28]1)[CH3:32]